5-(4-heptan-2-yloxyphenyl)-2-octylsulfanyl-pyrimidine

Systemtic Name: 5-(4-heptan-2-yloxyphenyl)-2-octylsulfanyl-pyrimidine Openeye Name: 5-[4-(1-methylhexoxy)phenyl]-2-octylsulfanyl-pyrimidine CAS Name: 5-(4-heptan-2-yloxyphenyl)-2-(octylthio)pyrimidine IUPAC Name: 5-(4-heptan-2-yloxyphenyl)-2-octylsulfanylpyrimidine Traditional Name: 5-[4-(1-methylhexoxy)phenyl]-2-(octylthio)pyrimidine Formula: C25H38N2OS MolecularWeight: 414.64702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(C)CCCCC

Isomeric SMILES

CCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(C)CCCCC

InChI

InChI=1S/C25H38N2OS/c1-4-6-8-9-10-12-18-29-25-26-19-23(20-27-25)22-14-16-24(17-15-22)28-21(3)13-11-7-5-2/h14-17,19-21H,4-13,18H2,1-3H3